2-butoxy-1-(3-methylbut-1-enoxy)pentane

C14H28O2 — CID 151664480

IUPAC2-butoxy-1-(3-methylbut-1-enoxy)pentane
SMILESCCCCOC(CCC)COC=CC(C)C
InChIInChI=1S/C14H28O2/c1-5-7-10-16-14(8-6-2)12-15-11-9-13(3)4/h9,11,13-14H,5-8,10,12H2,1-4H3
InChIKeyQXFJRBUAHFXCCZ-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.16
Rot. Bonds10

About 2-butoxy-1-(3-methylbut-1-enoxy)pentane

2-butoxy-1-(3-methylbut-1-enoxy)pentane (PubChem CID 151664480) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-butoxy-1-(3-methylbut-1-enoxy)pentane.

Molecular Properties

Compound Name2-butoxy-1-(3-methylbut-1-enoxy)pentane
PubChem CID151664480
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-butoxy-1-(3-methylbut-1-enoxy)pentane
SMILESCCCCOC(CCC)COC=CC(C)C
InChIInChI=1S/C14H28O2/c1-5-7-10-16-14(8-6-2)12-15-11-9-13(3)4/h9,11,13-14H,5-8,10,12H2,1-4H3
InChIKeyQXFJRBUAHFXCCZ-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethoxymethyl)-3,4-dihydro-2H-pyran
CID 58639907
2-((2-ethoxyethoxy)methyl)-3,4-dihydro-2H-pyran
CID 15583444
2-(3,4-dihydro-2H-pyran-2-ylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 20276843
2-[2-(2-Methoxyethoxy)butoxy]-3-methylbut-1-ene
CID 59317576
2-(butoxymethyl)-3,4-dihydro-2H-pyran
CID 68045798
6-(1,3-Dimethoxypropan-2-yloxy)hex-1-ene
CID 89357161
(E)-6-butoxy-1-(3-methylbutoxy)hex-1-ene
CID 118297175
2-(But-1-enoxymethyl)-3-ethyloxetane
CID 141062648
6-(2-Methoxyethoxy)-3-methylidenehex-1-ene;2-methoxyprop-1-ene
CID 144564677
2-(3-Methylbut-1-enoxy)ethoxycyclobutane
CID 149681701
2-(3-Methylpent-1-enoxymethyl)oxane
CID 150349362
2-(3-Methylbut-1-enoxymethyl)oxetane
CID 150746966

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1-(3-methylbut-1-enoxy)pentane?
The IUPAC name of 2-butoxy-1-(3-methylbut-1-enoxy)pentane (CID 151664480) is 2-butoxy-1-(3-methylbut-1-enoxy)pentane.
What is the SMILES notation for 2-butoxy-1-(3-methylbut-1-enoxy)pentane?
The canonical SMILES for 2-butoxy-1-(3-methylbut-1-enoxy)pentane is CCCCOC(CCC)COC=CC(C)C.
What is the InChIKey of 2-butoxy-1-(3-methylbut-1-enoxy)pentane?
The InChIKey is QXFJRBUAHFXCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-5-7-10-16-14(8-6-2)12-15-11-9-13(3)4/h9,11,13-14H,5-8,10,12H2,1-4H3.
What are the key properties of 2-butoxy-1-(3-methylbut-1-enoxy)pentane?
2-butoxy-1-(3-methylbut-1-enoxy)pentane has a molecular weight of 228.38 g/mol, XLogP of 4.16, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1-(3-methylbut-1-enoxy)pentane is sourced from PubChem (CID 151664480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).